8-chloro-3-methylsulfanyl-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazine

C20H16ClN3OS — CID 58902022

IUPAC8-chloro-3-methylsulfanyl-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazine
SMILESCSc1nc(-c2cccc(OCc3ccccc3)c2)c2c(Cl)nccn12
InChIInChI=1S/C20H16ClN3OS/c1-26-20-23-17(18-19(21)22-10-11-24(18)20)15-8-5-9-16(12-15)25-13-14-6-3-2-4-7-14/h2-12H,13H2,1H3
InChIKeyPFZLUNYPVXYHLT-UHFFFAOYSA-N
MW381.89 g/mol
LogP5.35
Rot. Bonds5

About 8-chloro-3-methylsulfanyl-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazine

8-chloro-3-methylsulfanyl-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazine (PubChem CID 58902022) has the molecular formula C20H16ClN3OS and a molecular weight of 381.89 g/mol. Its IUPAC name is 8-chloro-3-methylsulfanyl-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazine.

Molecular Properties

Compound Name8-chloro-3-methylsulfanyl-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazine
PubChem CID58902022
Molecular FormulaC20H16ClN3OS
Molecular Weight381.89 g/mol
Exact Mass381.07
IUPAC Name8-chloro-3-methylsulfanyl-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazine
SMILESCSc1nc(-c2cccc(OCc3ccccc3)c2)c2c(Cl)nccn12
InChIInChI=1S/C20H16ClN3OS/c1-26-20-23-17(18-19(21)22-10-11-24(18)20)15-8-5-9-16(12-15)25-13-14-6-3-2-4-7-14/h2-12H,13H2,1H3
InChIKeyPFZLUNYPVXYHLT-UHFFFAOYSA-N
XLogP5.35
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.89
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

8-chloro-3-(1-methylpiperidin-4-yl)-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazine
CID 59852763
3-[8-chloro-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]cyclobutan-1-one
CID 59852819
methyl 3-[8-chloro-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]cyclobutane-1-carboxylate
CID 59852728
[3-[8-chloro-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]cyclobutyl] ethaneperoxoate
CID 87391185
1-(3-butoxyphenyl)-8-chloro-3-naphthalen-2-ylimidazo[1,5-a]pyrazine
CID 89168130
3-cyclobutyl-N,N-diethyl-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-8-amine
CID 67417761
3-cyclobutyl-N-(2-methoxyethyl)-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-8-amine
CID 67415806
3-cyclobutyl-1-[3-[(3-methylphenyl)methoxy]phenyl]imidazo[1,5-a]pyrazin-8-amine
CID 174621229
5-chloro-6-(3-phenylmethoxyphenyl)pyridin-3-amine
CID 166595361
2-[2-(3-phenylmethoxyphenyl)imidazol-1-yl]ethanol
CID 56746066
trans-(1R,2R)-2-[8-amino-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]cyclobutane-1-carboxamide
CID 142682586
3-[3-(anilinomethyl)cyclobutyl]-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-8-amine
CID 67416861

Frequently Asked Questions

What is the IUPAC name of 8-chloro-3-methylsulfanyl-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazine?
The IUPAC name of 8-chloro-3-methylsulfanyl-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazine (CID 58902022) is 8-chloro-3-methylsulfanyl-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazine.
What is the SMILES notation for 8-chloro-3-methylsulfanyl-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazine?
The canonical SMILES for 8-chloro-3-methylsulfanyl-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazine is CSc1nc(-c2cccc(OCc3ccccc3)c2)c2c(Cl)nccn12.
What is the InChIKey of 8-chloro-3-methylsulfanyl-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazine?
The InChIKey is PFZLUNYPVXYHLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClN3OS/c1-26-20-23-17(18-19(21)22-10-11-24(18)20)15-8-5-9-16(12-15)25-13-14-6-3-2-4-7-14/h2-12H,13H2,1H3.
What are the key properties of 8-chloro-3-methylsulfanyl-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazine?
8-chloro-3-methylsulfanyl-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazine has a molecular weight of 381.89 g/mol, XLogP of 5.35, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-3-methylsulfanyl-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazine is sourced from PubChem (CID 58902022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).